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5,16-Dimethoxy-2,13-dithia[3.3](1,3)naphthalenophane
SpectraBase Compound ID 3iP3oESvwzd
InChI InChI=1S/C26H24O2S2/c1-27-25-19-11-17(21-7-3-5-9-23(21)25)13-30-16-20-12-18(14-29-15-19)22-8-4-6-10-24(22)26(20)28-2/h3-12H,13-16H2,1-2H3
InChIKey SSTMOBLWIRHKLA-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C26H24O2S2
Exact Mass 432.121772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7v0yBKo4GCn
Name 5,16-Dimethoxy-2,13-dithia[3.3](1,3)naphthalenophane
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Formula C26H24O2S2
InChI InChI=1S/C26H24O2S2/c1-27-25-19-11-17(21-7-3-5-9-23(21)25)13-30-16-20-12-18(14-29-15-19)22-8-4-6-10-24(22)26(20)28-2/h3-12H,13-16H2,1-2H3
InChIKey SSTMOBLWIRHKLA-UHFFFAOYSA-N
Molecular Weight 432.596 g/mol
SMILES c12c(c3ccccc3c(c2)CSCc2cc(c3c(cccc3)c2OC)CSC1)OC
SPLASH splash10-0019-0920200000-d2d8371e08fb05af891c
Source of Spectrum J-62-6484-37
Synonyms 12,24-dimethoxy-3,15-dithiapentacyclo[15.7.1.1(5,13).0(6,11).0(18,23)]hexacosa-1(24),5(26),6,8,10,12,17(25),18,20,22-decaene
Wiley ID 1382391